About [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine
[(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine (PubChem CID 105193028) has the molecular formula C17H16FN3
and a molecular weight of 281.33 g/mol. Its IUPAC name is [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine.
Molecular Properties
| Compound Name | [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine |
| PubChem CID | 105193028 |
| Molecular Formula | C17H16FN3 |
| Molecular Weight | 281.33 g/mol |
| Exact Mass | 281.13 |
| IUPAC Name | [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine |
| SMILES | Cc1ccc2cc(C(NN)c3cccc(F)c3)ccc2n1 |
| InChI | InChI=1S/C17H16FN3/c1-11-5-6-12-9-14(7-8-16(12)20-11)17(21-19)13-3-2-4-15(18)10-13/h2-10,17,21H,19H2,1H3 |
| InChIKey | VSFBFUDRNHIJKR-UHFFFAOYSA-N |
| XLogP | 3.24 |
| TPSA | 50.94 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 281.33 |
| LogP ≤ 5 | 3.24 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine?
The IUPAC name of [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine (CID 105193028) is [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine.
What is the SMILES notation for [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine?
The canonical SMILES for [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine is Cc1ccc2cc(C(NN)c3cccc(F)c3)ccc2n1.
What is the InChIKey of [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine?
The InChIKey is VSFBFUDRNHIJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-11-5-6-12-9-14(7-8-16(12)20-11)17(21-19)13-3-2-4-15(18)10-13/h2-10,17,21H,19H2,1H3.
What are the key properties of [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine?
[(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine has a molecular weight of 281.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine is sourced from PubChem (CID 105193028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).